2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1,3-thiazol-5-yl)ethanol;trimethyl(1,3-thiazol-2-yl)silane

C39H30F8N6O2S2Si — CID 159349356

About 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1,3-thiazol-5-yl)ethanol;trimethyl(1,3-thiazol-2-yl)silane

2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1,3-thiazol-5-yl)ethanol;trimethyl(1,3-thiazol-2-yl)silane (PubChem CID 159349356) has the molecular formula C39H30F8N6O2S2Si and a molecular weight of 858.91 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1,3-thiazol-5-yl)ethanol;trimethyl(1,3-thiazol-2-yl)silane.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1,3-thiazol-5-yl)ethanol;trimethyl(1,3-thiazol-2-yl)silane
• PubChem CID: 159349356
• Molecular Formula: C39H30F8N6O2S2Si
• Molecular Weight: 858.91 g/mol
• Exact Mass: 858.15
• IUPAC Name: 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1,3-thiazol-5-yl)ethanol;trimethyl(1,3-thiazol-2-yl)silane
• SMILES: C[Si](C)(C)c1nccs1.O=C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F.OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1cncs1)C(F)(F)F
• InChI: InChI=1S/C18H11F4N3OS.C15H8F4N2O.C6H11NSSi/c19-13-2-4-14(5-3-13)25-15-6-1-12(7-11(15)8-24-25)17(26,18(20,21)22)16-9-23-10-27-16;16-11-2-4-12(5-3-11)21-13-6-1-9(7-10(13)8-20-21)14(22)15(17,18)19;1-9(2,3)6-7-4-5-8-6/h1-10,26H;1-8H;4-5H,1-3H3
• InChIKey: LHDBMKPSPZQWOR-UHFFFAOYSA-N
• XLogP: 10.02
• TPSA: 98.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.91
LogP ≤ 5	10.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1,3-thiazol-5-yl)ethanol;trimethyl(1,3-thiazol-2-yl)silane?

The IUPAC name of 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1,3-thiazol-5-yl)ethanol;trimethyl(1,3-thiazol-2-yl)silane (CID 159349356) is 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1,3-thiazol-5-yl)ethanol;trimethyl(1,3-thiazol-2-yl)silane.

What is the SMILES notation for 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1,3-thiazol-5-yl)ethanol;trimethyl(1,3-thiazol-2-yl)silane?

The canonical SMILES for 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1,3-thiazol-5-yl)ethanol;trimethyl(1,3-thiazol-2-yl)silane is C[Si](C)(C)c1nccs1.O=C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F.OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1cncs1)C(F)(F)F.

What is the InChIKey of 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1,3-thiazol-5-yl)ethanol;trimethyl(1,3-thiazol-2-yl)silane?

The InChIKey is LHDBMKPSPZQWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3OS.C15H8F4N2O.C6H11NSSi/c19-13-2-4-14(5-3-13)25-15-6-1-12(7-11(15)8-24-25)17(26,18(20,21)22)16-9-23-10-27-16;16-11-2-4-12(5-3-11)21-13-6-1-9(7-10(13)8-20-21)14(22)15(17,18)19;1-9(2,3)6-7-4-5-8-6/h1-10,26H;1-8H;4-5H,1-3H3.

What are the key properties of 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1,3-thiazol-5-yl)ethanol;trimethyl(1,3-thiazol-2-yl)silane?

2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1,3-thiazol-5-yl)ethanol;trimethyl(1,3-thiazol-2-yl)silane has a molecular weight of 858.91 g/mol, XLogP of 10.02, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1,3-thiazol-5-yl)ethanol;trimethyl(1,3-thiazol-2-yl)silane is sourced from PubChem (CID 159349356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).